4-bromo-5-ethyl-2-fluorobenzaldehyde

C9H8BrFO — CID 139490493

IUPAC4-bromo-5-ethyl-2-fluorobenzaldehyde
SMILESCCc1cc(C=O)c(F)cc1Br
InChIInChI=1S/C9H8BrFO/c1-2-6-3-7(5-12)9(11)4-8(6)10/h3-5H,2H2,1H3
InChIKeyRENGXTCGCDIBNE-UHFFFAOYSA-N
MW231.06 g/mol
LogP2.96
Rot. Bonds2

About 4-bromo-5-ethyl-2-fluorobenzaldehyde

4-bromo-5-ethyl-2-fluorobenzaldehyde (PubChem CID 139490493) has the molecular formula C9H8BrFO and a molecular weight of 231.06 g/mol. Its IUPAC name is 4-bromo-5-ethyl-2-fluorobenzaldehyde.

Molecular Properties

Compound Name4-bromo-5-ethyl-2-fluorobenzaldehyde
PubChem CID139490493
Molecular FormulaC9H8BrFO
Molecular Weight231.06 g/mol
Exact Mass229.97
IUPAC Name4-bromo-5-ethyl-2-fluorobenzaldehyde
SMILESCCc1cc(C=O)c(F)cc1Br
InChIInChI=1S/C9H8BrFO/c1-2-6-3-7(5-12)9(11)4-8(6)10/h3-5H,2H2,1H3
InChIKeyRENGXTCGCDIBNE-UHFFFAOYSA-N
XLogP2.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.06
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-ethyl-2-fluorobenzaldehyde?
The IUPAC name of 4-bromo-5-ethyl-2-fluorobenzaldehyde (CID 139490493) is 4-bromo-5-ethyl-2-fluorobenzaldehyde.
What is the SMILES notation for 4-bromo-5-ethyl-2-fluorobenzaldehyde?
The canonical SMILES for 4-bromo-5-ethyl-2-fluorobenzaldehyde is CCc1cc(C=O)c(F)cc1Br.
What is the InChIKey of 4-bromo-5-ethyl-2-fluorobenzaldehyde?
The InChIKey is RENGXTCGCDIBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO/c1-2-6-3-7(5-12)9(11)4-8(6)10/h3-5H,2H2,1H3.
What are the key properties of 4-bromo-5-ethyl-2-fluorobenzaldehyde?
4-bromo-5-ethyl-2-fluorobenzaldehyde has a molecular weight of 231.06 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-ethyl-2-fluorobenzaldehyde is sourced from PubChem (CID 139490493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).